3-(azepan-1-yl)-5-(ethylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(azepan-1-yl)-5-(ethylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(azepan-1-yl)-5-(ethylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0370 |
| Compound Name: | 3-(azepan-1-yl)-5-(ethylamino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C22 H23 N3 O2 |
| Smiles: | CCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.3954 |
| logD: | 5.3954 |
| logSw: | -5.4862 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.097 |
| InChI Key: | NFLIYGORFYATRL-UHFFFAOYSA-N |